General Information of the Compound
| Compound ID |
CP0380231
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| Compound Name |
3-(4-fluorophenyl)-5-[1-(oxolan-3-yl)-4,5,6,7-tetrahydrobenzotriazol-5-yl]-1,2,4-oxadiazole
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| Structure |
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| Formula |
C18H18FN5O2
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| Molecular Weight |
355.373
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| Canonical SMILES |
Fc1ccc(cc1)-c1noc(n1)C1CCc2c(C1)nnn2C1CCOC1
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| InChI |
InChI=1S/C18H18FN5O2/c19-13-4-1-11(2-5-13)17-20-18(26-22-17)12-3-6-16-15(9-12)21-23-24(16)14-7-8-25-10-14/h1-2,4-5,12,14H,3,6-10H2
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| InChIKey |
XYTZQUCMUFIGKB-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound